V021-3680 Screening compound: N-(6-{4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide

V021-3680 Screening compound: N-(6-{4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide
V021-3680 Screening compound: N-(6-{4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3680
N-(6-{4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V021-3680

Molecular Formula

C25H25F3N4O2 (C25 H25 F3 N4 O2)

Compound Name

N-(6-{4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(6-{4-[(2-hydroxyphenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-4-(trifluoromethyl)benzamide

SMILES

Oc1c(CN(CCC2)CCN2c(cc2)ncc2NC(c2ccc(C(F)(F)F)cc2)=O)cccc1

InChI

InChI=1S/C25H25F3N4O2/c26-25(27,28)20-8-6-18(7-9-20)24(34)30-21-10-11-23(29-16-21)32-13-3-12-31(14-15-32)17-19-4-1-2-5-22(19)33/h1-2,4-11,16,33H,3,12-15,17H2,(H,30,34)

InChI Key

WBGFENPTADZESD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912051

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.055

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.25

Polar Surface Area

55.803

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V021-3680 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V021-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3680?
Check Price and Availability of V021-3680, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3680
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V021-3680 available by request